N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine

C13H19ClN4S — CID 114203396

IUPACN-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
SMILESCCC(CC)C(Cl)CNc1ncnc2snc(C)c12
InChIInChI=1S/C13H19ClN4S/c1-4-9(5-2)10(14)6-15-12-11-8(3)18-19-13(11)17-7-16-12/h7,9-10H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyAXOZXYSPQIOZME-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.85
Rot. Bonds6

About N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine

N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine (PubChem CID 114203396) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
PubChem CID114203396
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC NameN-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
SMILESCCC(CC)C(Cl)CNc1ncnc2snc(C)c12
InChIInChI=1S/C13H19ClN4S/c1-4-9(5-2)10(14)6-15-12-11-8(3)18-19-13(11)17-7-16-12/h7,9-10H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyAXOZXYSPQIOZME-UHFFFAOYSA-N
XLogP3.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203250
N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203179
N-ethyl-N-methyl-2-[(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetamide
CID 114203262
3-methyl-N-(3-methylpyrrolidin-3-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203313
1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286982
N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine
CID 106286880
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 52677943
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159127
N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 106286878

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine (CID 114203396) is N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine is CCC(CC)C(Cl)CNc1ncnc2snc(C)c12.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is AXOZXYSPQIOZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4S/c1-4-9(5-2)10(14)6-15-12-11-8(3)18-19-13(11)17-7-16-12/h7,9-10H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 298.84 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 114203396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).